2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

C30H22Cl2N2 — CID 155431854

IUPAC2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESClc1cc(N(c2ccccc2)c2ccccc2)c(Cl)c(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C30H22Cl2N2/c31-23-21-28(33(24-13-5-1-6-14-24)25-15-7-2-8-16-25)30(32)29(22-23)34(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H
InChIKeyCLEORFRHMCEKRA-UHFFFAOYSA-N
MW481.43 g/mol
LogP9.93
Rot. Bonds6

About 2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (PubChem CID 155431854) has the molecular formula C30H22Cl2N2 and a molecular weight of 481.43 g/mol. Its IUPAC name is 2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
PubChem CID155431854
Molecular FormulaC30H22Cl2N2
Molecular Weight481.43 g/mol
Exact Mass480.12
IUPAC Name2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESClc1cc(N(c2ccccc2)c2ccccc2)c(Cl)c(N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C30H22Cl2N2/c31-23-21-28(33(24-13-5-1-6-14-24)25-15-7-2-8-16-25)30(32)29(22-23)34(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H
InChIKeyCLEORFRHMCEKRA-UHFFFAOYSA-N
XLogP9.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.43
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 134305211
2-chloro-1-N,3-N-bis(4-chloro-3,5-diphenoxyphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 166974470
2-chloro-3-N-(3,5-diphenylphenyl)-5-methyl-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 171467085
4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59025088
3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 118220081
4-[3-chloro-5-[3-chloro-5-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N,N-diphenylaniline
CID 121295829
3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 67786435
1-N,3-N-bis(4-tert-butylphenyl)-2-chloro-1-N,3-N-bis(4-methylphenyl)-5-N,5-N-diphenylbenzene-1,3,5-triamine
CID 167072947
2-chloro-3-fluoro-N,N-diphenylaniline
CID 163209826
1-N,1-N,4-N,4-N-tetraphenylanthracene-1,4-diamine
CID 59403897
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-2-chloro-5-N,5-N-diphenylbenzene-1,3,5-triamine
CID 162494576
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The IUPAC name of 2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (CID 155431854) is 2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.
What is the SMILES notation for 2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The canonical SMILES for 2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is Clc1cc(N(c2ccccc2)c2ccccc2)c(Cl)c(N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The InChIKey is CLEORFRHMCEKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Cl2N2/c31-23-21-28(33(24-13-5-1-6-14-24)25-15-7-2-8-16-25)30(32)29(22-23)34(26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-22H.
What are the key properties of 2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine has a molecular weight of 481.43 g/mol, XLogP of 9.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is sourced from PubChem (CID 155431854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).